src/gromacs/selection/selectionoption.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Implements classes in selectionoption.h and selectionoptionstorage.h.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \ingroup module_selection
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "selectionoption.h"
  45
  46 #include <string>
  47
  48 #include "gromacs/options/optionmanagercontainer.h"
  49 #include "gromacs/selection/selection.h"
  50 #include "gromacs/selection/selectionfileoption.h"
  51 #include "gromacs/selection/selectionoptionmanager.h"
  52 #include "gromacs/utility/exceptions.h"
  53 #include "gromacs/utility/gmxassert.h"
  54 #include "gromacs/utility/messagestringcollector.h"
  55
  56 #include "selectionfileoptionstorage.h"
  57 #include "selectionoptionstorage.h"
  58
  59 namespace gmx
  60 {
  61
  62 /********************************************************************
  63  * SelectionOptionStorage
  64  */
  65
  66 SelectionOptionStorage::SelectionOptionStorage(const SelectionOption  &settings,
  67                                                SelectionOptionManager *manager)
  68     : MyBase(settings, OptionFlags() | efOption_NoDefaultValue
  69              | efOption_DontCheckMinimumCount),
  70       info_(this), manager_(*manager), defaultText_(settings.defaultText_),
  71       selectionFlags_(settings.selectionFlags_)
  72 {
  73     GMX_RELEASE_ASSERT(manager != nullptr,
  74                        "SelectionOptionManager must be added before SelectionOption");
  75     GMX_RELEASE_ASSERT(!hasFlag(efOption_MultipleTimes),
  76                        "allowMultiple() is not supported for selection options");
  77     manager_.registerOption(this);
  78 }
  79
  80
  81 std::string SelectionOptionStorage::formatSingleValue(const Selection &value) const
  82 {
  83     return value.selectionText();
  84 }
  85
  86
  87 std::vector<Any>
  88 SelectionOptionStorage::normalizeValues(const std::vector<Any> & /*values*/) const
  89 {
  90     GMX_THROW(NotImplementedError("Selection options not supported in this context"));
  91 }
  92
  93
  94 void SelectionOptionStorage::addSelections(
  95         const SelectionList &selections,
  96         bool                 bFullValue)
  97 {
  98     if (bFullValue && selections.size() < static_cast<size_t>(minValueCount()))
  99     {
 100         GMX_THROW(InvalidInputError("Too few selections provided"));
 101     }
 102     if (bFullValue)
 103     {
 104         clearSet();
 105     }
 106     SelectionList::const_iterator i;
 107     for (i = selections.begin(); i != selections.end(); ++i)
 108     {
 109         // TODO: Having this check in the parser would make interactive input
 110         // behave better.
 111         if (selectionFlags_.test(efSelection_OnlyStatic) && i->isDynamic())
 112         {
 113             GMX_THROW(InvalidInputError("Dynamic selections not supported"));
 114         }
 115         // Create a copy to allow modifications.
 116         Selection sel(*i);
 117         sel.data().setFlags(selectionFlags_);
 118         addValue(sel);
 119     }
 120     if (bFullValue)
 121     {
 122         commitValues();
 123         markAsSet();
 124     }
 125 }
 126
 127
 128 void SelectionOptionStorage::convertValue(const Any &value)
 129 {
 130     manager_.convertOptionValue(this, value.cast<std::string>(), false);
 131 }
 132
 133 void SelectionOptionStorage::processSetValues(ValueList *values)
 134 {
 135     if (values->empty())
 136     {
 137         manager_.requestOptionDelayedParsing(this);
 138     }
 139     else if (values->size() < static_cast<size_t>(minValueCount()))
 140     {
 141         GMX_THROW(InvalidInputError("Too few (valid) values provided"));
 142     }
 143 }
 144
 145 void SelectionOptionStorage::processAll()
 146 {
 147     if (!isSet() && !defaultText_.empty())
 148     {
 149         manager_.convertOptionValue(this, defaultText_, true);
 150     }
 151     if (isRequired() && !isSet())
 152     {
 153         manager_.requestOptionDelayedParsing(this);
 154         markAsSet();
 155     }
 156 }
 157
 158 void SelectionOptionStorage::setAllowedValueCount(int count)
 159 {
 160     // TODO: It should be possible to have strong exception safety here.
 161     // TODO: Use ExceptionInitializer here.
 162     MessageStringCollector errors;
 163     errors.startContext("In option '" + name() + "'");
 164     if (count >= 0)
 165     {
 166         // Should not throw because efOption_DontCheckMinimumCount is set.
 167         setMinValueCount(count);
 168         if (valueCount() > 0 && valueCount() < count)
 169         {
 170             errors.append("Too few (valid) values provided");
 171         }
 172     }
 173     try
 174     {
 175         setMaxValueCount(count);
 176     }
 177     catch (const UserInputError &ex)
 178     {
 179         errors.append(ex.what());
 180     }
 181     errors.finishContext();
 182     if (!errors.isEmpty())
 183     {
 184         GMX_THROW(InvalidInputError(errors.toString()));
 185     }
 186 }
 187
 188 void SelectionOptionStorage::setSelectionFlag(SelectionFlag flag, bool bSet)
 189 {
 190     for (const Selection &value : values())
 191     {
 192         if (flag == efSelection_OnlyStatic && bSet && value.isDynamic())
 193         {
 194             MessageStringCollector errors;
 195             errors.startContext("In option '" + name() + "'");
 196             errors.append("Dynamic selections not supported");
 197             errors.finishContext();
 198             GMX_THROW(InvalidInputError(errors.toString()));
 199         }
 200     }
 201     selectionFlags_.set(flag, bSet);
 202     for (Selection &value : values())
 203     {
 204         value.data().setFlags(selectionFlags_);
 205     }
 206 }
 207
 208
 209 /********************************************************************
 210  * SelectionOptionInfo
 211  */
 212
 213 SelectionOptionInfo::SelectionOptionInfo(SelectionOptionStorage *option)
 214     : OptionInfo(option)
 215 {
 216 }
 217
 218 SelectionOptionStorage &SelectionOptionInfo::option()
 219 {
 220     return static_cast<SelectionOptionStorage &>(OptionInfo::option());
 221 }
 222
 223 const SelectionOptionStorage &SelectionOptionInfo::option() const
 224 {
 225     return static_cast<const SelectionOptionStorage &>(OptionInfo::option());
 226 }
 227
 228 void SelectionOptionInfo::setValueCount(int count)
 229 {
 230     option().setAllowedValueCount(count);
 231 }
 232
 233 void SelectionOptionInfo::setEvaluateVelocities(bool bEnabled)
 234 {
 235     option().setSelectionFlag(efSelection_EvaluateVelocities, bEnabled);
 236 }
 237
 238 void SelectionOptionInfo::setEvaluateForces(bool bEnabled)
 239 {
 240     option().setSelectionFlag(efSelection_EvaluateForces, bEnabled);
 241 }
 242
 243 void SelectionOptionInfo::setOnlyAtoms(bool bEnabled)
 244 {
 245     option().setSelectionFlag(efSelection_OnlyAtoms, bEnabled);
 246 }
 247
 248 void SelectionOptionInfo::setOnlyStatic(bool bEnabled)
 249 {
 250     option().setSelectionFlag(efSelection_OnlyStatic, bEnabled);
 251 }
 252
 253 void SelectionOptionInfo::setDynamicMask(bool bEnabled)
 254 {
 255     option().setSelectionFlag(efSelection_DynamicMask, bEnabled);
 256 }
 257
 258
 259 /********************************************************************
 260  * SelectionOption
 261  */
 262
 263 AbstractOptionStorage *
 264 SelectionOption::createStorage(const OptionManagerContainer &managers) const
 265 {
 266     return new SelectionOptionStorage(
 267             *this, managers.get<SelectionOptionManager>());
 268 }
 269
 270
 271 /********************************************************************
 272  * SelectionFileOptionStorage
 273  */
 274
 275 SelectionFileOptionStorage::SelectionFileOptionStorage(
 276         const SelectionFileOption &settings, SelectionOptionManager *manager)
 277     : AbstractOptionStorage(settings, OptionFlags() | efOption_MultipleTimes
 278                             | efOption_DontCheckMinimumCount),
 279       info_(this), manager_(*manager), bValueParsed_(false)
 280 {
 281     GMX_RELEASE_ASSERT(manager != nullptr,
 282                        "SelectionOptionManager must be added before SelectionFileOption");
 283 }
 284
 285 void SelectionFileOptionStorage::clearSet()
 286 {
 287     bValueParsed_ = false;
 288 }
 289
 290 void SelectionFileOptionStorage::convertValue(const Any &value)
 291 {
 292     if (bValueParsed_)
 293     {
 294         GMX_THROW(InvalidInputError("More than one file name provided"));
 295     }
 296     bValueParsed_ = true;
 297     // TODO: Should we throw an InvalidInputError if the file does not exist?
 298     manager_.parseRequestedFromFile(value.cast<std::string>());
 299 }
 300
 301 void SelectionFileOptionStorage::processSet()
 302 {
 303     if (!bValueParsed_)
 304     {
 305         GMX_THROW(InvalidInputError("No file name provided"));
 306     }
 307 }
 308
 309
 310 /********************************************************************
 311  * SelectionFileOptionInfo
 312  */
 313
 314 SelectionFileOptionInfo::SelectionFileOptionInfo(SelectionFileOptionStorage *option)
 315     : OptionInfo(option)
 316 {
 317 }
 318
 319
 320 /********************************************************************
 321  * SelectionFileOption
 322  */
 323
 324 SelectionFileOption::SelectionFileOption(const char *name)
 325     : AbstractOption(name)
 326 {
 327     setDescription("Provide selections from files");
 328 }
 329
 330 AbstractOptionStorage *
 331 SelectionFileOption::createStorage(const OptionManagerContainer &managers) const
 332 {
 333     return new SelectionFileOptionStorage(
 334             *this, managers.get<SelectionOptionManager>());
 335 }
 336
 337 } // namespace gmx